2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine

C12H18BrNO — CID 115624963

IUPAC2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
SMILESCOCC(C)C(C)(N)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-9(8-15-3)12(2,14)10-4-6-11(13)7-5-10/h4-7,9H,8,14H2,1-3H3
InChIKeySIKJPYQKQWULFA-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine

2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine (PubChem CID 115624963) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
PubChem CID115624963
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
SMILESCOCC(C)C(C)(N)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-9(8-15-3)12(2,14)10-4-6-11(13)7-5-10/h4-7,9H,8,14H2,1-3H3
InChIKeySIKJPYQKQWULFA-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine (CID 115624963) is 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine is COCC(C)C(C)(N)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine?
The InChIKey is SIKJPYQKQWULFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(8-15-3)12(2,14)10-4-6-11(13)7-5-10/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine?
2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 115624963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).